Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 36727-29-4 | |
|---|---|---|
| Name: | Hexanoylchloride,3,5,5-trimethyl- | |
| Description: | ||
| Labels: | eval | |
| CAS: | 36727-29-4 | |
| InChi Code: | InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.00354041 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |